SCHEMBL6101008

SCHEMBL6101008

O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1OC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
P2RX1 P51575 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13698751 0.87 TMPRSS4 (0.55) POLBALDH1A1GAANPSR1HSD17B10
SCHEMBL19627242 0.82 ALDH1A1 (0.50) POLBALDH1A1GAANPSR1HSD17B10
SCHEMBL4498909 0.81 POLB (0.53) POLBALDH1A1GAAHSD17B10KDM4E
SCHEMBL3498205 0.79 TMPRSS4 (0.55) POLBALDH1A1GAANPSR1HSD17B10
SCHEMBL19612092 0.79 ALDH1A1 (0.47) POLBALDH1A1GAANPSR1HSD17B10
SCHEMBL19612142 0.79 TP53 (0.48) POLBALDH1A1GAANPSR1HSD17B10
SCHEMBL15026043 0.79 SMN1; SMN2 (0.46) POLBALDH1A1GAANPSR1HSD17B10
SCHEMBL13189425 0.78 KMT2A (0.58) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL3496921 0.78 TMPRSS4 (0.58) POLBALDH1A1GAANPSR1HSD17B10
SCHEMBL19612133 0.77 HSD17B10 (0.47) POLBALDH1A1GAANPSR1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA POLB 2254/4885ALDH1A1 535/4885GAA 1806/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.